CID 707749

3-(4-fluorophenyl)-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C17H9FO3
SMILES
C1=CC(=CC=C1C2=COC3=C2C=C4C=CC(=O)OC4=C3)F
InChI
InChI=1S/C17H9FO3/c18-12-4-1-10(2-5-12)14-9-20-16-8-15-11(7-13(14)16)3-6-17(19)21-15/h1-9H
InChIKey
DYUPZSVDLPFZGG-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

280.05356 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06084 157.9
[M+Na]+ 303.04278 171.3
[M-H]- 279.04628 168.3
[M+NH4]+ 298.08738 175.6
[M+K]+ 319.01672 168.1
[M+H-H2O]+ 263.05082 150.4
[M+HCOO]- 325.05176 180.9
[M+CH3COO]- 339.06741 172.6
[M+Na-2H]- 301.02823 166.2
[M]+ 280.05301 163.2
[M]- 280.05411 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe